5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid

C17H28N2O6 — CID 90455587

IUPAC5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid
SMILESCCC(NC(=O)C1CCC(CNC(=O)CCCC(=O)O)CC1)C(=O)O
InChIInChI=1S/C17H28N2O6/c1-2-13(17(24)25)19-16(23)12-8-6-11(7-9-12)10-18-14(20)4-3-5-15(21)22/h11-13H,2-10H2,1H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)
InChIKeyMPVHWKVGPZAVEW-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.14
Rot. Bonds10

About 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid

5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid (PubChem CID 90455587) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid
PubChem CID90455587
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid
SMILESCCC(NC(=O)C1CCC(CNC(=O)CCCC(=O)O)CC1)C(=O)O
InChIInChI=1S/C17H28N2O6/c1-2-13(17(24)25)19-16(23)12-8-6-11(7-9-12)10-18-14(20)4-3-5-15(21)22/h11-13H,2-10H2,1H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)
InChIKeyMPVHWKVGPZAVEW-UHFFFAOYSA-N
XLogP1.14
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

20-[[4-[[1-carboxy-4-[[(1S)-1-carboxy-4-(carboxymethylamino)-4-oxobutyl]amino]-4-oxobutyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 170095541
20-[[4-[[(1S)-1-carboxy-4-[2-(2-ethoxyethoxy)ethylamino]-4-oxobutyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 122550514
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
20-[[4-(carboxymethylcarbamoyl)cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 148996235
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(20-hydroxyicosanoylamino)methyl]cyclohexanecarbonyl]amino]butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 153356694
5-(1-carboxyethylamino)-5-oxo-2-[[4-[(20-oxoicosanoylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 170097537
20-[[4-[[1-carboxy-4-hydroxy-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid
CID 89131383
5-[(2-methylpropan-2-yl)oxy]-4-[[4-[[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]methyl]cyclohexanecarbonyl]amino]-5-oxopentanoic acid
CID 152753973
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
5-[[4-carboxy-1-[[4-carboxy-1-(4-carboxybutan-2-ylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-[[4-[(3,3-dimethylbutanoylamino)methyl]cyclohexanecarbonyl]amino]-5-oxopentanoic acid
CID 130355035

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid (CID 90455587) is 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid is CCC(NC(=O)C1CCC(CNC(=O)CCCC(=O)O)CC1)C(=O)O.
What is the InChIKey of 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid?
The InChIKey is MPVHWKVGPZAVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-2-13(17(24)25)19-16(23)12-8-6-11(7-9-12)10-18-14(20)4-3-5-15(21)22/h11-13H,2-10H2,1H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25).
What are the key properties of 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid?
5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 1.14, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-carboxypropylcarbamoyl)cyclohexyl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 90455587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).